5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

C10H10BrN3S — CID 66295477

IUPAC5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)s2)ncc1Br
InChIInChI=1S/C10H10BrN3S/c1-6-3-4-8(15-6)10-13-5-7(11)9(12-2)14-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyHHISAMYMJFVETR-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 66295477) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID66295477
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)s2)ncc1Br
InChIInChI=1S/C10H10BrN3S/c1-6-3-4-8(15-6)10-13-5-7(11)9(12-2)14-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyHHISAMYMJFVETR-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 66295477) is 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is CNc1nc(-c2ccc(C)s2)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is HHISAMYMJFVETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-6-3-4-8(15-6)10-13-5-7(11)9(12-2)14-10/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 284.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).